1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide

C16H18BrNO2S — CID 93488201

IUPAC1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-12-3-7-15(8-4-12)13(2)18-21(19,20)11-14-5-9-16(17)10-6-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyMHNMSYCRRXLENQ-CYBMUJFWSA-N
MW368.30 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide

1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 93488201) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID93488201
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2S/c1-12-3-7-15(8-4-12)13(2)18-21(19,20)11-14-5-9-16(17)10-6-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyMHNMSYCRRXLENQ-CYBMUJFWSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyanomethanesulfonamide
CID 106833750
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide (CID 93488201) is 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is MHNMSYCRRXLENQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-12-3-7-15(8-4-12)13(2)18-21(19,20)11-14-5-9-16(17)10-6-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 93488201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).